[4-(methylamino)-3-nitro-phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(methylamino)-3-nitro-phenyl]-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(methylamino)-3-nitrophenyl]-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(methylamino)-3-nitrophenyl]-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(methylamino)-3-nitro-phenyl]-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O3/c1-24-21-10-9-18(15-22(21)27(29)30)23(28)26-13-11-25(12-14-26)16-19-7-4-6-17-5-2-3-8-20(17)19/h2-10,15,24H,11-14,16H2,1H3/p+1